1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol

C12H10F3NO — CID 3751005

IUPAC1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol
SMILESOC(C=Cc1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C12H10F3NO/c13-12(14,15)11(17)6-5-8-7-16-10-4-2-1-3-9(8)10/h1-7,11,16-17H
InChIKeyYGQJAOQHDNLYFN-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.10
Rot. Bonds2

About 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol

1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol (PubChem CID 3751005) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol
PubChem CID3751005
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol
SMILESOC(C=Cc1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C12H10F3NO/c13-12(14,15)11(17)6-5-8-7-16-10-4-2-1-3-9(8)10/h1-7,11,16-17H
InChIKeyYGQJAOQHDNLYFN-UHFFFAOYSA-N
XLogP3.10
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
2-(1H-indol-3-yl)ethenyl-methylidyneazanium
CID 162800591
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
3-(2-pyridin-2-ylethenyl)-1H-indole
CID 67252498
3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 89155870
2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
CID 163135142
(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
CID 67920432
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559
(2S)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid
CID 2324682
4-[(Z)-2-(1H-indol-3-yl)ethenyl]quinoline
CID 54609523

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol (CID 3751005) is 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol is OC(C=Cc1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol?
The InChIKey is YGQJAOQHDNLYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)11(17)6-5-8-7-16-10-4-2-1-3-9(8)10/h1-7,11,16-17H.
What are the key properties of 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol?
1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol has a molecular weight of 241.21 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol is sourced from PubChem (CID 3751005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).